2-(2-phenylethylcarbamoyl)benzoic acid

C16H15NO3 — CID 774593

IUPAC2-(2-phenylethylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C16H15NO3/c18-15(13-8-4-5-9-14(13)16(19)20)17-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChIKeyXVQUUVCOFZFTDA-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.36
Rot. Bonds5

About 2-(2-phenylethylcarbamoyl)benzoic acid

2-(2-phenylethylcarbamoyl)benzoic acid (PubChem CID 774593) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(2-phenylethylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(2-phenylethylcarbamoyl)benzoic acid
PubChem CID774593
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-(2-phenylethylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C16H15NO3/c18-15(13-8-4-5-9-14(13)16(19)20)17-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChIKeyXVQUUVCOFZFTDA-UHFFFAOYSA-N
XLogP2.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylcarbamoyl)benzoic acid?
The IUPAC name of 2-(2-phenylethylcarbamoyl)benzoic acid (CID 774593) is 2-(2-phenylethylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(2-phenylethylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(2-phenylethylcarbamoyl)benzoic acid is O=C(O)c1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-(2-phenylethylcarbamoyl)benzoic acid?
The InChIKey is XVQUUVCOFZFTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-15(13-8-4-5-9-14(13)16(19)20)17-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)(H,19,20).
What are the key properties of 2-(2-phenylethylcarbamoyl)benzoic acid?
2-(2-phenylethylcarbamoyl)benzoic acid has a molecular weight of 269.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylcarbamoyl)benzoic acid is sourced from PubChem (CID 774593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).